4-(2-butan-2-ylsulfanylethoxy)benzohydrazide

C13H20N2O2S — CID 63580821

IUPAC4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
SMILESCCC(C)SCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-10(2)18-9-8-17-12-6-4-11(5-7-12)13(16)15-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyKUEACTQVMCZXNY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds7

About 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide

4-(2-butan-2-ylsulfanylethoxy)benzohydrazide (PubChem CID 63580821) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide.

Molecular Properties

Compound Name4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
PubChem CID63580821
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
SMILESCCC(C)SCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-10(2)18-9-8-17-12-6-4-11(5-7-12)13(16)15-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyKUEACTQVMCZXNY-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-aminobutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 66225349
4-(2-ethylsulfanylethoxy)benzohydrazide
CID 63582672
4-pentoxybenzohydrazide
CID 2727702
1-bromo-4-(2-butan-2-ylsulfanylethoxy)benzene
CID 60624906
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide?
The IUPAC name of 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide (CID 63580821) is 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide.
What is the SMILES notation for 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide?
The canonical SMILES for 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide is CCC(C)SCCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide?
The InChIKey is KUEACTQVMCZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10(2)18-9-8-17-12-6-4-11(5-7-12)13(16)15-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide?
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide has a molecular weight of 268.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylsulfanylethoxy)benzohydrazide is sourced from PubChem (CID 63580821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).